5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C24H25N5O3 — CID 58485975

IUPAC5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1ccc2oc(=O)n(Cc3cccc(-c4ncc(OC5CCCN(C)C5)cn4)c3)c2n1
InChIInChI=1S/C24H25N5O3/c1-16-8-9-21-23(27-16)29(24(30)32-21)14-17-5-3-6-18(11-17)22-25-12-20(13-26-22)31-19-7-4-10-28(2)15-19/h3,5-6,8-9,11-13,19H,4,7,10,14-15H2,1-2H3
InChIKeyNDLBEOCYOQGYRV-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.28
Rot. Bonds5

About 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 58485975) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID58485975
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1ccc2oc(=O)n(Cc3cccc(-c4ncc(OC5CCCN(C)C5)cn4)c3)c2n1
InChIInChI=1S/C24H25N5O3/c1-16-8-9-21-23(27-16)29(24(30)32-21)14-17-5-3-6-18(11-17)22-25-12-20(13-26-22)31-19-7-4-10-28(2)15-19/h3,5-6,8-9,11-13,19H,4,7,10,14-15H2,1-2H3
InChIKeyNDLBEOCYOQGYRV-UHFFFAOYSA-N
XLogP3.28
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 58485975) is 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is Cc1ccc2oc(=O)n(Cc3cccc(-c4ncc(OC5CCCN(C)C5)cn4)c3)c2n1.
What is the InChIKey of 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is NDLBEOCYOQGYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-8-9-21-23(27-16)29(24(30)32-21)14-17-5-3-6-18(11-17)22-25-12-20(13-26-22)31-19-7-4-10-28(2)15-19/h3,5-6,8-9,11-13,19H,4,7,10,14-15H2,1-2H3.
What are the key properties of 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 431.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58485975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).